Collect. Czech. Chem. Commun.
1980, 45, 1655-1661
https://doi.org/10.1135/cccc19801655
Perturbation theory of substituent effect. Importance of the field effect in transmission of the substituent effect
Robert Ponec
Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol
Abstract
Various quantum chemical approaches to the problem of transmission of the substituent effect were compared. It was shown that inclusion of the electronic repulsion (field effect) was necessary to give a true picture of differences in ρ constants for reactions of the cis and trans isomers of substituted unsaturated carboxylic acids; the same holds for an adequate description of transmission of the substituent effect from the meta position on a given skeleton.
